A fast and user-friendly software for quantitative chemical analysis through XRF

Abstract

X-ray fluorescence (XRF) spectroscopy is a technique widely used for the study and conservation of cultural heritage materials. A Microsoft Excel spreadsheet to determine major (Na, Mg, Al, Si, K, Ca, Fe) and minor (P, Ti, Mn) elements in rocks and other materials by XRF is presented. The code is based on the analytical method proposed a few decades ago by Franzini et al., which is based on the algorithm: Ci = Ii ΣKi,j Cj, where Ci is the concentration (expressed as wt%) of the chemical element “i”, Ii is the intensity of the characteristic line, Cj is the concentration of interfering elements, and Ki,j are experimental coefficients that account for the matrix effects (absorption and enhancement). Ki,j have the dimension of mass absorption coefficients and they may be calculated from a set of N reference samples using multivariate regression methods. The algorithm proposed by these authors is particularly suitable for processing samples prepared in the form of pressed powders. The Microsoft Excel spreadsheet allows you to: a) choose a set of reference samples (international or interlaboratory standards); b) evaluate the expected matrix effects on the basis of the XRF total mass absorption coefficients; c) calculate the correction coefficients Ki,j through multivariable regression; d) calculate the analytical accuracy and graphically represent the results; e) choose five samples (monitors) for the correction of instrumental drift. Based on these steps, the software allows you to: i) enter the analytical intensities of major and minor elements measured on the monitors and on unknown samples (the loss on ignition must be determined separately); ii) calculate the correction of the instrumental drift; iii) determine the concentration of elements and express them as wt%.